5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine

C19H21F2N3O2 — CID 118616416

IUPAC5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H21F2N3O2/c20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14/h1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23)/t13-,15+,17+/m0/s1
InChIKeyJZRJLLSXUSABNJ-YSVLISHTSA-N
MW361.39 g/mol
LogP3.26
Rot. Bonds4

About 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine

5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 118616416) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
PubChem CID118616416
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H21F2N3O2/c20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14/h1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23)/t13-,15+,17+/m0/s1
InChIKeyJZRJLLSXUSABNJ-YSVLISHTSA-N
XLogP3.26
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118590337
5-[(2R)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine
CID 134570099
6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590503
6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590511
N-[cyclopropyl(methyl)sulfamoyl]-6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590499
6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118590619
N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590576
N-tert-butylsulfonyl-5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R,4S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R,4S)-2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 160610260
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440422
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine (CID 118616416) is 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine is Nc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1.
What is the InChIKey of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is JZRJLLSXUSABNJ-YSVLISHTSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14/h1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23)/t13-,15+,17+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 361.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 118616416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).